SCHEMBL6994057

SCHEMBL6994057

Cc1nc(N)ccc1CNC(=O)[C@@H]1CCc2cnc(NCC(c3ccc(F)cc3)c3ccc(F)cc3)c(=O)n21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 15/20 0.49
PRSS1 P07477 13/20 0.49
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
F10 P00742 2/20 0.43
P2RX7 Q99572 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL7995916 0.99 F2 (0.48) F2PRSS1PRSS2PRSS3F10
SCHEMBL6992688 0.94 F2 (0.50) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7989441 0.93 F2 (0.49) F2PRSS1PRSS2PRSS3F10
SCHEMBL6992076 0.93 F2 (0.49) F2PRSS1PRSS2PRSS3F10
SCHEMBL6995649 0.93 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL6998939 0.93 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL7003096 0.93 F2 (0.56) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7989226 0.92 F2 (0.49) F2PRSS1PRSS2PRSS3F10
SCHEMBL6994960 0.92 F2 (0.49) F2PRSS1PRSS2PRSS3F10
Hydrochloric Acid SCHEMBL7996215 0.92 F2 (0.56) F2PRSS1PRSS2PRSS3F10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1069132-B1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them SERVIER LAB (FR) 2003-10-01 EP disclosed
EP-1069132-A1 Bicyclic derivatives of amino-pyrazinones, process of preparation and pharmaceutical compositions comprising them ADIR ET COMPAGNIE (FR) 2001-01-17 EP disclosed